C17H15BrN4OS
TL;DR: C17H15BrN4OS (CAS 497950-06-8) is a chemical compound with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-bromophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2-bromobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H15BrN4OS |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 4.65109 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.01498 |
| Heavy Atoms | 24 |
| Complexity | 914.84 |
Chemical Identifiers
| CAS Number | 497950-06-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3Br |
Product Overview
C17H15BrN4OS (CAS 497950-06-8), with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol. IUPAC: 4-[(E)-(2-bromophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C17H15BrN4OS
Property Insights of C17H15BrN4OS
The XLogP value of 4.65109 indicates that C17H15BrN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, C17H15BrN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H15BrN4OS has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C17H15BrN4OS?
The CAS number of C17H15BrN4OS is 497950-06-8.
What is the molecular formula of C17H15BrN4OS?
The molecular formula of C17H15BrN4OS is C17H15BrN4OS.
What is the molecular weight of C17H15BrN4OS?
The molecular weight of C17H15BrN4OS is 402.01 g/mol.
Where can I buy C17H15BrN4OS?
You can request a quote for C17H15BrN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H15BrN4OS?
Yes, KEHONG BIO provides custom synthesis services for C17H15BrN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.